Geometry & MOs

Info

ID:	47851
PubChem CID:	10535626
Reduced:	O3C10H20 (1)
Stoich.:	A3B10C20 (1)
Weight, g/mol:	188.141244
ΔH_f, kcal/mol:	-178.37
Dipole, Da:	3.28
IP(EA), eV:	-10.4(0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2R,4S,6S)-6-hydroxy-2,4-dimethylheptanoate

Drug info:

PubChemData

Smile

CCCCC(C(C)C(=O)OCC)O

DOS

IR

Vibrations